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8XRU
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BU of 8xru by Molmil
The crystal structure of a GH3 enzyme CcBgl3B with glycerol
分子名称: CALCIUM ION, GH3 enzyme CcBgl3B, GLYCEROL
著者Su, J.Y.
登録日2024-01-08
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study.
Int.J.Biol.Macromol., 265, 2024
8XRX
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BU of 8xrx by Molmil
The crystal structure of a GH3 enzyme CcBgl3B with glucose and gentiobiose
分子名称: CALCIUM ION, GH3 enzyme CcBgl3B, alpha-D-glucopyranose, ...
著者Su, J.Y.
登録日2024-01-08
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study.
Int.J.Biol.Macromol., 265, 2024
7RWI
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BU of 7rwi by Molmil
Mycobacterium tuberculosis RNA polymerase sigma L holoenzyme open promoter complex containing TNP-2198
分子名称: (3aM,9S,10bP,14S,15R,16S,17R,18R,19R,20S,21S,25R)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Molodtsov, V, Ebright, R.H.
登録日2021-08-19
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Design, Synthesis, and Characterization of TNP-2198, a Dual-Targeted Rifamycin-Nitroimidazole Conjugate with Potent Activity against Microaerophilic and Anaerobic Bacterial Pathogens.
J.Med.Chem., 65, 2022
7YG1
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BU of 7yg1 by Molmil
Cryo-EM structure of the C-terminal domain of the human sodium-chloride cotransporter
分子名称: Solute carrier family 12 member 3
著者Nan, J, Yang, X.M, Shan, Z.Y, Yuan, Y.F, Zhang, Y.Q.
登録日2022-07-09
公開日2022-11-23
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Cryo-EM structure of the human sodium-chloride cotransporter NCC.
Sci Adv, 8, 2022
7YG0
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BU of 7yg0 by Molmil
Cryo-EM structure of human sodium-chloride cotransporter
分子名称: Solute carrier family 12 member 3
著者Nan, J, Yang, X.M, Shan, Z.Y, Yuan, Y.F, Zhang, Y.Q.
登録日2022-07-09
公開日2022-11-23
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Cryo-EM structure of the human sodium-chloride cotransporter NCC.
Sci Adv, 8, 2022
5IHC
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BU of 5ihc by Molmil
MELK in complex with NVS-MELK12B
分子名称: 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Brazell, T.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IHA
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BU of 5iha by Molmil
MELK in complex with NVS-MELK8F
分子名称: 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Brazell, T.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IH9
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BU of 5ih9 by Molmil
MELK in complex with NVS-MELK8A
分子名称: 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Puleo, D.E.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IH8
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BU of 5ih8 by Molmil
MELK in complex with NVS-MELK1
分子名称: Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide
著者Sprague, E.R, Puleo, D.E.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
8WGV
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BU of 8wgv by Molmil
BA.2(S375) Spike (S6P)/hACE2 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Wei, X, Zhang, Z.
登録日2023-09-22
公開日2024-02-28
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
5BOA
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BU of 5boa by Molmil
Crystal Structure of the Meningitis Pathogen Streptococcus suis adhesion Fhb bound to the disaccharide receptor Gb2
分子名称: Translation initiation factor 2 (IF-2 GTPase), alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose
著者Zhang, C, Yu, Y, Yang, M, Jiang, Y.
登録日2015-05-27
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.708 Å)
主引用文献Structural basis of the interaction between the meningitis pathogen Streptococcus suis adhesin Fhb and its human receptor.
Febs Lett., 590, 2016
5ITI
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BU of 5iti by Molmil
A cynobacterial PP2C (tPphA) structure
分子名称: CALCIUM ION, Protein serin-threonin phosphatase
著者Su, J.Y.
登録日2016-03-16
公開日2016-05-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Biochemical Characterization of a Cyanobacterial PP2C Phosphatase Reveals Insights into Catalytic Mechanism and Substrate Recognition
Catalysts, 6, 2016
6N3I
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BU of 6n3i by Molmil
Crystal structure of a double Trp XylE mutants (G58W/L315W)
分子名称: D-xylose transporter
著者Jiang, X, Wu, J.P, Yan, N.
登録日2018-11-15
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.69 Å)
主引用文献Engineered XylE as a tool for mechanistic investigation and ligand discovery of the glucose transporters GLUTs.
Cell Discov, 5, 2019
5D2U
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BU of 5d2u by Molmil
Crystal structure of tPphA Variant - H39A
分子名称: CALCIUM ION, Protein serin-threonin phosphatase
著者Su, J.
登録日2015-08-06
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Biochemical Characterization of a Cyanobacterial PP2C Phosphatase Reveals Insights into Catalytic Mechanism and Substrate Recognition
Catalysts, 2016
6OG4
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BU of 6og4 by Molmil
plasminogen binding group A streptococcal M protein
分子名称: Plasminogen, Plasminogen-binding group A streptococcal M-like protein PAM, SULFATE ION
著者Law, R.H.P, Quek, A.J, Whisstock, J.C, Caradoc-Davies, T.T.
登録日2019-04-01
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and Function Characterization of the a1a2 Motifs of Streptococcus pyogenes M Protein in Human Plasminogen Binding.
J.Mol.Biol., 431, 2019
6M20
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BU of 6m20 by Molmil
Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with glucose
分子名称: Hexose transporter 1, beta-D-glucopyranose, nonyl beta-D-glucopyranoside
著者Jiang, X, Yuan, Y.Y, Zhang, S, Wang, N, Yan, C.Y, Yan, N.
登録日2020-02-26
公開日2020-09-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum.
Cell, 183, 2020
6M2L
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BU of 6m2l by Molmil
Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with C3361
分子名称: (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol, Hexose transporter 1
著者Jiang, X, Yuan, Y.Y, Zhang, S, Wang, N, Yan, C.Y, Yan, N.
登録日2020-02-27
公開日2020-09-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum.
Cell, 183, 2020
5GYQ
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BU of 5gyq by Molmil
Putative receptor-binding domain of bat-derived coronavirus HKU9 spike protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Huang, C, Qi, J, Gao, G.F.
登録日2016-09-23
公開日2016-10-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Putative Receptor Binding Domain of Bat-Derived Coronavirus HKU9 Spike Protein: Evolution of Betacoronavirus Receptor Binding Motifs
Biochemistry, 55, 2016
5HJS
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BU of 5hjs by Molmil
Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease
分子名称: 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ...
著者Parthasarathy, G, Klein, D.
登録日2016-01-13
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease.
J.Med.Chem., 59, 2016
5HJP
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BU of 5hjp by Molmil
Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease
分子名称: 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, DI(HYDROXYETHYL)ETHER, Oxysterols receptor LXR-beta, ...
著者Parthasarathy, G, Klein, D.
登録日2016-01-13
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease.
J.Med.Chem., 59, 2016
7SPT
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BU of 7spt by Molmil
Crystal structure of exofacial state human glucose transporter GLUT3
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ...
著者Wang, N, Jiang, X, Yan, N.
登録日2021-11-03
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis for inhibiting human glucose transporters by exofacial inhibitors.
Nat Commun, 13, 2022
7SPS
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BU of 7sps by Molmil
Crystal structure of human glucose transporter GLUT3 bound with exofacial inhibitor SA47
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ...
著者Wang, N, Jiang, X, Yan, N.
登録日2021-11-03
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis for inhibiting human glucose transporters by exofacial inhibitors.
Nat Commun, 13, 2022
5CAJ
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BU of 5caj by Molmil
Crystal structure of E. coli YaaA, a member of the DUF328/UPF0246 family
分子名称: BENZAMIDINE, CHLORIDE ION, UPF0246 protein YaaA
著者Prahlad, J, Lin, J, Wilson, M.A.
登録日2015-06-29
公開日2016-02-24
最終更新日2020-10-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The DUF328 family member YaaA is a DNA-binding protein with a novel fold.
J.Biol.Chem., 295, 2020
8CVN
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BU of 8cvn by Molmil
Cryo-EM Structure of Human 15-PGDH in Complex with Small Molecule SW209415
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-[butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
著者Huang, W, Taylor, D.J.
登録日2022-05-18
公開日2023-03-01
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
8CWL
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BU of 8cwl by Molmil
Cryo-EM structure of Human 15-PGDH in complex with small molecule SW222746
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1(2H)-one
著者Huang, W, Taylor, D.J.
登録日2022-05-19
公開日2023-03-08
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023

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